3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide

C20H25FN2O3S — CID 110288744

IUPAC3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25FN2O3S/c1-15-7-10-17(14-19(15)27(25,26)23(2)3)20(24)22-13-5-4-6-16-8-11-18(21)12-9-16/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)
InChIKeySRFULSKVMOUYNF-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.14
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide

3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide (PubChem CID 110288744) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
PubChem CID110288744
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25FN2O3S/c1-15-7-10-17(14-19(15)27(25,26)23(2)3)20(24)22-13-5-4-6-16-8-11-18(21)12-9-16/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)
InChIKeySRFULSKVMOUYNF-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
N-[4-(4-fluorophenyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 110288748
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660579
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882
N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 17475869

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide (CID 110288744) is 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCCCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide?
The InChIKey is SRFULSKVMOUYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-15-7-10-17(14-19(15)27(25,26)23(2)3)20(24)22-13-5-4-6-16-8-11-18(21)12-9-16/h7-12,14H,4-6,13H2,1-3H3,(H,22,24).
What are the key properties of 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide?
3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide is sourced from PubChem (CID 110288744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).